2,6,7-trimethyl-5,8-dihydrophthalazin-1-one

C11H14N2O — CID 11030602

IUPAC2,6,7-trimethyl-5,8-dihydrophthalazin-1-one
SMILESCC1=C(C)Cc2c(cnn(C)c2=O)C1
InChIInChI=1S/C11H14N2O/c1-7-4-9-6-12-13(3)11(14)10(9)5-8(7)2/h6H,4-5H2,1-3H3
InChIKeyGOQCXRXRLUNUEY-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.22
Rot. Bonds

About 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one

2,6,7-trimethyl-5,8-dihydrophthalazin-1-one (PubChem CID 11030602) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one.

Molecular Properties

Compound Name2,6,7-trimethyl-5,8-dihydrophthalazin-1-one
PubChem CID11030602
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,6,7-trimethyl-5,8-dihydrophthalazin-1-one
SMILESCC1=C(C)Cc2c(cnn(C)c2=O)C1
InChIInChI=1S/C11H14N2O/c1-7-4-9-6-12-13(3)11(14)10(9)5-8(7)2/h6H,4-5H2,1-3H3
InChIKeyGOQCXRXRLUNUEY-UHFFFAOYSA-N
XLogP1.22
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 90738135
3-methyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-4-one
CID 91164950
2-Propan-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
CID 146189239
2-(Methylsulfanylmethyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 146191551
Ethane;2-methyl-5,6,7,8-tetrahydrophthalazin-1-one
CID 153352943
2,5-Dimethyl-4-propan-2-ylpyridazin-3-one
CID 170587437
4-Ethyl-2-methyl-5-propan-2-ylpyridazin-3-one
CID 170600352
4-Cyclopropyl-5-ethyl-2-methylpyridazin-3-one;ethane
CID 170978323
5-Ethyl-2,4-dimethylpyridazin-3-one
CID 170978400
Ethane;5-ethyl-2,4-dimethylpyridazin-3-one
CID 170978453
5-Butan-2-yl-4-cyclopropyl-2-methylpyridazin-3-one
CID 170979259
2-Methyl-4,5-di(propan-2-yl)pyridazin-3-one
CID 171734882

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one?
The IUPAC name of 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one (CID 11030602) is 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one.
What is the SMILES notation for 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one?
The canonical SMILES for 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one is CC1=C(C)Cc2c(cnn(C)c2=O)C1.
What is the InChIKey of 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one?
The InChIKey is GOQCXRXRLUNUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-4-9-6-12-13(3)11(14)10(9)5-8(7)2/h6H,4-5H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one?
2,6,7-trimethyl-5,8-dihydrophthalazin-1-one has a molecular weight of 190.25 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-5,8-dihydrophthalazin-1-one is sourced from PubChem (CID 11030602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).